1-cyano-N-(1-propylpiperidin-4-yl)cyclohexane-1-carboxamide

C16H27N3O — CID 61476262

IUPAC1-cyano-N-(1-propylpiperidin-4-yl)cyclohexane-1-carboxamide
SMILESCCCN1CCC(NC(=O)C2(C#N)CCCCC2)CC1
InChIInChI=1S/C16H27N3O/c1-2-10-19-11-6-14(7-12-19)18-15(20)16(13-17)8-4-3-5-9-16/h14H,2-12H2,1H3,(H,18,20)
InChIKeyAFZCBXXYWLIXKF-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.45
Rot. Bonds4

About 1-cyano-N-(1-propylpiperidin-4-yl)cyclohexane-1-carboxamide

1-cyano-N-(1-propylpiperidin-4-yl)cyclohexane-1-carboxamide (PubChem CID 61476262) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-cyano-N-(1-propylpiperidin-4-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(1-propylpiperidin-4-yl)cyclohexane-1-carboxamide
PubChem CID61476262
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-cyano-N-(1-propylpiperidin-4-yl)cyclohexane-1-carboxamide
SMILESCCCN1CCC(NC(=O)C2(C#N)CCCCC2)CC1
InChIInChI=1S/C16H27N3O/c1-2-10-19-11-6-14(7-12-19)18-15(20)16(13-17)8-4-3-5-9-16/h14H,2-12H2,1H3,(H,18,20)
InChIKeyAFZCBXXYWLIXKF-UHFFFAOYSA-N
XLogP2.45
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-3-methyl-N-(1-propylpiperidin-4-yl)cyclobutane-1-carboxamide
CID 80502317
1-cyano-N-cyclooctylcyclopentane-1-carboxamide
CID 29240923
1-[(1-propylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62095589
1-cyano-N-(4-methylcyclohexyl)cyclobutane-1-carboxamide
CID 78994982
1-cyano-N-(3-ethylcyclohexyl)cyclohexane-1-carboxamide
CID 64749228
1-cyano-N-(1-oxothian-4-yl)cyclohexane-1-carboxamide
CID 115886715
1-cyano-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide
CID 115671011
1-cyano-N-(3-ethylcyclohexyl)cyclopentane-1-carboxamide
CID 64749617
1-[2-oxo-2-[(1-propylpiperidin-4-yl)amino]ethyl]cyclopentane-1-carboxylic acid
CID 60940397
1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexan-1-ol
CID 65107383
1-cyano-N-(3-ethylpentan-3-yl)cyclohexane-1-carboxamide
CID 65043719
[1-[[(1-propylpiperidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 81412863

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(1-propylpiperidin-4-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-(1-propylpiperidin-4-yl)cyclohexane-1-carboxamide (CID 61476262) is 1-cyano-N-(1-propylpiperidin-4-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(1-propylpiperidin-4-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(1-propylpiperidin-4-yl)cyclohexane-1-carboxamide is CCCN1CCC(NC(=O)C2(C#N)CCCCC2)CC1.
What is the InChIKey of 1-cyano-N-(1-propylpiperidin-4-yl)cyclohexane-1-carboxamide?
The InChIKey is AFZCBXXYWLIXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-2-10-19-11-6-14(7-12-19)18-15(20)16(13-17)8-4-3-5-9-16/h14H,2-12H2,1H3,(H,18,20).
What are the key properties of 1-cyano-N-(1-propylpiperidin-4-yl)cyclohexane-1-carboxamide?
1-cyano-N-(1-propylpiperidin-4-yl)cyclohexane-1-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(1-propylpiperidin-4-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 61476262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).